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Compound Detail

CHEMBL3335402

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O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1CN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3335402
Phase Preclinical
Structure Type MOL
InChI Key USEUKCUKIYCNFD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.79
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F3N2O2
MW 364.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.87

Literature References

PubMed DOI Target Context # Activities
25139751 10.1016/j.bmc.2014.07.020 Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha 1

Data from ChEMBL 36 via Core Engine